NP-MRD: Browsing natural products

NP-MRD ID
CAS Number Compound Name Species of Origin Chemical Structure Chemical Formula
Average Mass
Monoisotopic Mass NMR Spectra

NP0332446

Citrinin H1

Not Available

C₂₄H₂₆O₇

426.4650 Da
426.16785 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0332447

Penicitrinol

Not Available

C₂₃H₂₆O₅

382.4560 Da
382.17802 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0332448

Dicitrinol

Not Available

C₂₅H₂₈O₆

424.4930 Da
424.18859 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0332449

Favodehyde G

Not Available

C₁₇H₂₂O₄

290.3590 Da
290.15181 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0332450

Favolasinone B

Not Available

C₁₆H₁₃ClO₄

304.7300 Da
304.05024 Da

¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)

NP0332451

3-methylbenzo[b]oxepin-7-carboxylic acid

Not Available

C₁₂H₁₀O₃

202.2090 Da
202.06299 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)

NP0332452

(9Z)-9-methoxystrobilurin B

Not Available

C₁₈H₂₁ClO₅

352.8100 Da
352.10775 Da

¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0332453

(9Z)-9-methoxystrobilurin G

Not Available

C₂₇H₃₆O₇

472.5780 Da
472.24610 Da

¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0332454

Favolasin B

Not Available

C₁₇H₁₇ClO₄

320.7700 Da
320.08154 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0332455

Oudemansin Y

Not Available

C₂₂H₃₀O₅

374.4770 Da
374.20932 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0332456

3-Chloro-4-hydroxy-5((2E,6E)-3,7,11-trimethyl-10-methylenedodeca-2,6-dienyl)benzamide

Not Available

C₂₃H₃₂ClNO₂

389.9600 Da
389.21216 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0332457

Favolasinone A

Not Available

C₁₅H₁₂O₃

240.2580 Da
240.07864 Da

¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0332458

10,14-dehydrooudemansin B

Not Available

C₁₈H₂₁ClO₅

352.8100 Da
352.10775 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0332459

Favodehyde K

Not Available

C₁₇H₂₂O₄

290.3590 Da
290.15181 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0332460

(17R,20S,22R)-5β,6β-epoxy-4β-acetoxy-1-oxowitha-2,23,25(27)-trienolide

Not Available

C₃₀H₃₈O₆

494.6280 Da
494.26684 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0332461

(17R,20S,22R)-5β,6β-epoxy-4β-hydroxy-1-oxowitha-2,23,25(27)-trienolide

Not Available

C₂₈H₃₆O₅

452.5910 Da
452.25627 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0332462

microascone E

Not Available

C₃₄H₄₅NO₅

547.7360 Da
547.32977 Da

¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)

NP0332463

microascone B

Not Available

C₃₄H₄₁NO₅

543.7040 Da
543.29847 Da

¹H NMR Spectrum (1D, 500.18, C2D6OS, simulated)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0332464

microascone C

Not Available

C₃₄H₄₁NO₄

527.7050 Da
527.30356 Da

¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)

NP0332465

microascone D

Not Available

C₃₄H₄₁NO₄

527.7050 Da
527.30356 Da

¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)

NP0332466

microascone A

Not Available

C₃₄H₄₁NO₄

527.7050 Da
527.30356 Da

¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)

NP0332467

5,7-Dihydroxyflavone

Not Available

C₁₅H₁₀O₄

254.2375 Da
254.05791 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332468

Gausemycin D

Not Available

C₇₉H₁₀₈ClN₁₇O₂₄

1715.2800 Da
1713.74417 Da

[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)

NP0332469

Gausemycin E

Not Available

C₈₂H₁₁₃ClN₁₈O₂₅

1786.3600 Da
1784.78128 Da

[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)

NP0332470

Gausemycin F

Not Available

C₈₃H₁₁₅ClN₁₈O₂₅

1800.3800 Da
1798.79693 Da

[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)

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